WIP

scpGUI

scpGUI is a shiny application that serves as a graphical interface for the scp package (Vanderaa and Gatto (2021)). It leverages the power of Shiny and ShinydashboardPlus to provide a user-friendly interface for SCP data analysis. The app is organized into multiple sections, each dedicated to a specific aspect of SCP data processing. These sections are documented in separate vignettes to make it easy for users to navigate and find information relevant to their needs.

The scp Package

scpGUI is a graphical interface for the scp package it is therefore recommended to understand how scp will handle the SCP data. In this short section, the general idea behind scp is presented refer to the documentation of the package for more information.

The scp package is a robust tool for processing and analyzing MS-based SCP data. It operates on a specialized data structure that wraps QFeatures objects (Gatto (2020)) around SingleCellExperiment objects (Amezquita et al. (2020)). This unique data structure can be conceptualized as Matryoshka dolls, where SingleCellExperiment objects are the small dolls contained within the larger QFeatures doll.

The SingleCellExperiment class provides a dedicated framework for single-cell data, acting as an interface to cutting-edge methods for processing, visualizing, and analyzing single-cell data. The QFeatures class, on the other hand, is a data framework specifically designed to manipulate and process MS-based quantitative data. It preserves the relationship between different levels of information, such as peptide to spectrum match (PSM) data, peptide data, and protein data. Additionally, the QFeatures package offers an interface to various utility functions that streamline the processing of MS data. For further details on MS data analysis tools, refer to the RforMassSpectrometry project.

Before You Start

Before diving into the SCP data analysis using scpGUI, it’s essential to note that this app serves as an interface to the scp package. When errors occur during the analysis, scpGUI will report the error message in a dropdown menu at the top right of the screen. In such cases, users are encouraged to refer to the documentation of the associated function within the scp package to identify and resolve the issue. The error messages provide valuable clues, and searching the scp package documentation will help users troubleshoot effectively.

Installation and Launch

Installation

# Check if remotes is installed. Otherwise install it.
if (!require("remotes", quietly = TRUE)) {
    install.packages("remotes")
}
# Install the package
#remotes::install_github("UCLouvain-CBIO/scpGUI")
# Load the package
#library(scpGUI)

Application launch

app <- scpGUI(example = FALSE)

if (interactive()) {
    shiny::runApp(app)
}

App sections

When launching scpGUI, the user can see section of the app on the right sidebar. Each section will serve one step of the workflow. Each section is documented in its own vignette:

Citation

References

Amezquita, Robert A, Aaron T L Lun, Etienne Becht, Vince J Carey, Lindsay N Carpp, Ludwig Geistlinger, Federico Marini, et al. 2020. “Orchestrating Single-Cell Analysis with Bioconductor.” Nat. Methods 17 (2): 137–45.
Gatto, Laurent. 2020. QFeatures: Quantitative Features for Mass Spectrometry Data.”
Vanderaa, Christophe, and Laurent Gatto. 2021. “Replication of Single-Cell Proteomics Data Reveals Important Computational Challenges.” Expert Review of Proteomics, 1–9.